2-[2-(4-methoxy-2,6-dimethylphenyl)propyl]-3-methyloxirane

C15H22O2 — CID 83940144

IUPAC2-[2-(4-methoxy-2,6-dimethylphenyl)propyl]-3-methyloxirane
SMILESCOc1cc(C)c(C(C)CC2OC2C)c(C)c1
InChIInChI=1S/C15H22O2/c1-9-6-13(16-5)7-10(2)15(9)11(3)8-14-12(4)17-14/h6-7,11-12,14H,8H2,1-5H3
InChIKeyWHKJWRSCOFMWQE-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.59
Rot. Bonds4

About 2-[2-(4-methoxy-2,6-dimethylphenyl)propyl]-3-methyloxirane

2-[2-(4-methoxy-2,6-dimethylphenyl)propyl]-3-methyloxirane (PubChem CID 83940144) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[2-(4-methoxy-2,6-dimethylphenyl)propyl]-3-methyloxirane.

Molecular Properties

Compound Name2-[2-(4-methoxy-2,6-dimethylphenyl)propyl]-3-methyloxirane
PubChem CID83940144
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-[2-(4-methoxy-2,6-dimethylphenyl)propyl]-3-methyloxirane
SMILESCOc1cc(C)c(C(C)CC2OC2C)c(C)c1
InChIInChI=1S/C15H22O2/c1-9-6-13(16-5)7-10(2)15(9)11(3)8-14-12(4)17-14/h6-7,11-12,14H,8H2,1-5H3
InChIKeyWHKJWRSCOFMWQE-UHFFFAOYSA-N
XLogP3.59
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromobutan-2-yl)-5-methoxy-1,3-dimethylbenzene
CID 83940053
5-methoxy-1,3-dimethyl-2-pent-4-en-2-ylbenzene
CID 83940128
2-[2-(4-methoxy-2,6-dimethylphenyl)ethyl]-3-methyloxirane
CID 83940139
2-ethyl-3-[2-(2,4,6-trimethylphenyl)propyl]oxirane
CID 83928273
2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene
CID 91355849
2-[2-(2,5-dimethylphenyl)propyl]-3-methyloxirane
CID 83928171
3-(4-methoxy-2,6-dimethylphenyl)butanethioamide
CID 83940097
2-(1-chloropropan-2-yl)-1,3,5-trimethoxybenzene
CID 168916552
2-amino-1-(2,4-dimethoxy-6-methylphenyl)ethanethiol
CID 116868681
2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine
CID 116952676
2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol
CID 116863258
1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-amine
CID 82048906

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxy-2,6-dimethylphenyl)propyl]-3-methyloxirane?
The IUPAC name of 2-[2-(4-methoxy-2,6-dimethylphenyl)propyl]-3-methyloxirane (CID 83940144) is 2-[2-(4-methoxy-2,6-dimethylphenyl)propyl]-3-methyloxirane.
What is the SMILES notation for 2-[2-(4-methoxy-2,6-dimethylphenyl)propyl]-3-methyloxirane?
The canonical SMILES for 2-[2-(4-methoxy-2,6-dimethylphenyl)propyl]-3-methyloxirane is COc1cc(C)c(C(C)CC2OC2C)c(C)c1.
What is the InChIKey of 2-[2-(4-methoxy-2,6-dimethylphenyl)propyl]-3-methyloxirane?
The InChIKey is WHKJWRSCOFMWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-9-6-13(16-5)7-10(2)15(9)11(3)8-14-12(4)17-14/h6-7,11-12,14H,8H2,1-5H3.
What are the key properties of 2-[2-(4-methoxy-2,6-dimethylphenyl)propyl]-3-methyloxirane?
2-[2-(4-methoxy-2,6-dimethylphenyl)propyl]-3-methyloxirane has a molecular weight of 234.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxy-2,6-dimethylphenyl)propyl]-3-methyloxirane is sourced from PubChem (CID 83940144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).